1-ethyl-6-fluoranyl-3,4-bis(oxidanylidene)-7-piperazin-1-yl-2H-quinolin-1-ium-1-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-3,4-bis(oxidanylidene)-7-piperazin-1-yl-2H-quinolin-1-ium-1-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-3,4-dioxo-7-piperazin-1-yl-2H-quinolin-1-ium-1-carboxylic acid CAS Name: 1-ethyl-6-fluoro-3,4-dioxo-7-(1-piperazinyl)-2H-quinolin-1-ium-1-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-3,4-dioxo-7-piperazin-1-yl-2H-quinolin-1-ium-1-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-3,4-diketo-7-piperazino-2H-quinolin-1-ium-1-carboxylic acid Formula: C16H19FN3O4+ MolecularWeight: 336.338163

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(=O)C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CC[N+]1(CC(=O)C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C16H18FN3O4/c1-2-20(16(23)24)9-14(21)15(22)10-7-11(17)12(8-13(10)20)19-5-3-18-4-6-19/h7-8,18H,2-6,9H2,1H3/p+1